Title of article :
Static and vibrational properties of equiatomic Na-based binary alloys Original Research Article
Author/Authors :
Aditya M. Vora، نويسنده ,
Issue Information :
روزنامه با شماره پیاپی سال 2007
Pages :
5
From page :
1725
To page :
1729
Abstract :
The computations of the static and vibrational properties of four equiatomic Na-based binary alloys viz. Na0.5Li0.5, Na0.5K0.5, Na0.5Rb0.5 and Na0.5Cs0.5, to second order in local model potential is discussed in terms of real-space sum of Born von Karman central force constants. The local field correlation functions due to Hartree (H), Ichimaru–Utsumi (IU) and Sarkar et al. (S) are used to investigate the influence of the screening effects on the aforesaid properties. Results for the lattice constants C11, C12, C44, C12–C44, C12/C44 and bulk modulus B obtained using the H-local field correction function have higher values in comparison with the results obtained for the same properties using IU- and S-local field correction functions. The results for the Shear modulus (C′), deviation from Cauchyʹs relation, Poissonʹs ratio σ, Young modulus Y, propagation velocity of elastic waves, phonon dispersion curves and degree of anisotropy A are highly appreciable for the four equiatomic Na-based binary alloys.
Keywords :
C. ab initio calculations , A. Alloys , D. lattice dynamics
Journal title :
Journal of Physics and Chemistry of Solids
Serial Year :
2007
Journal title :
Journal of Physics and Chemistry of Solids
Record number :
1309865
Link To Document :
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